3-(2-bromo-4-fluoro-6-nitrophenoxy)cyclobutan-1-amine

C10H10BrFN2O3 — CID 66357869

IUPAC3-(2-bromo-4-fluoro-6-nitrophenoxy)cyclobutan-1-amine
SMILESNC1CC(Oc2c(Br)cc(F)cc2[N+](=O)[O-])C1
InChIInChI=1S/C10H10BrFN2O3/c11-8-1-5(12)2-9(14(15)16)10(8)17-7-3-6(13)4-7/h1-2,6-7H,3-4,13H2
InChIKeyOMFKOPSRJFXHCK-UHFFFAOYSA-N
MW305.10 g/mol
LogP2.36
Rot. Bonds3

About 3-(2-bromo-4-fluoro-6-nitrophenoxy)cyclobutan-1-amine

3-(2-bromo-4-fluoro-6-nitrophenoxy)cyclobutan-1-amine (PubChem CID 66357869) has the molecular formula C10H10BrFN2O3 and a molecular weight of 305.10 g/mol. Its IUPAC name is 3-(2-bromo-4-fluoro-6-nitrophenoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-bromo-4-fluoro-6-nitrophenoxy)cyclobutan-1-amine
PubChem CID66357869
Molecular FormulaC10H10BrFN2O3
Molecular Weight305.10 g/mol
Exact Mass303.99
IUPAC Name3-(2-bromo-4-fluoro-6-nitrophenoxy)cyclobutan-1-amine
SMILESNC1CC(Oc2c(Br)cc(F)cc2[N+](=O)[O-])C1
InChIInChI=1S/C10H10BrFN2O3/c11-8-1-5(12)2-9(14(15)16)10(8)17-7-3-6(13)4-7/h1-2,6-7H,3-4,13H2
InChIKeyOMFKOPSRJFXHCK-UHFFFAOYSA-N
XLogP2.36
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.10
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-bromo-4-fluoro-6-nitrophenoxy)cyclopentan-1-one
CID 79642871
3-(2,6-dibromo-4-nitrophenoxy)cyclobutan-1-amine
CID 66349811
3-(2-bromo-4-fluoro-6-nitrophenoxy)-2,2-dimethylcyclobutan-1-ol
CID 66345836
1-bromo-2-(3-chloro-2-methoxycyclobutyl)oxy-5-fluoro-3-nitrobenzene
CID 113439706
1-bromo-2-(3-bromo-2,2-diethylcyclobutyl)oxy-5-fluoro-3-nitrobenzene
CID 66344721
3-(5-bromo-4-fluoro-2-nitrophenoxy)cyclopentan-1-amine
CID 116739740
3-(4-chloro-5-fluoro-2-nitrophenoxy)cyclobutan-1-amine
CID 66077267
1-(2-bromo-4-fluoro-6-nitrophenoxy)-3-cyclopentylpropan-2-ol
CID 103160498
3-(2-bromo-4-chloro-6-nitrophenoxy)-N-ethylcyclobutan-1-amine
CID 66357862
ethyl 2-(2-bromo-4-fluoro-6-nitrophenoxy)acetate
CID 43092999
3-(5-fluoro-2-nitrophenoxy)cyclopentan-1-amine
CID 76781898
1-N-(4-fluoro-2-nitrophenyl)cyclobutane-1,3-diamine
CID 43599343

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-fluoro-6-nitrophenoxy)cyclobutan-1-amine?
The IUPAC name of 3-(2-bromo-4-fluoro-6-nitrophenoxy)cyclobutan-1-amine (CID 66357869) is 3-(2-bromo-4-fluoro-6-nitrophenoxy)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-bromo-4-fluoro-6-nitrophenoxy)cyclobutan-1-amine?
The canonical SMILES for 3-(2-bromo-4-fluoro-6-nitrophenoxy)cyclobutan-1-amine is NC1CC(Oc2c(Br)cc(F)cc2[N+](=O)[O-])C1.
What is the InChIKey of 3-(2-bromo-4-fluoro-6-nitrophenoxy)cyclobutan-1-amine?
The InChIKey is OMFKOPSRJFXHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O3/c11-8-1-5(12)2-9(14(15)16)10(8)17-7-3-6(13)4-7/h1-2,6-7H,3-4,13H2.
What are the key properties of 3-(2-bromo-4-fluoro-6-nitrophenoxy)cyclobutan-1-amine?
3-(2-bromo-4-fluoro-6-nitrophenoxy)cyclobutan-1-amine has a molecular weight of 305.10 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-fluoro-6-nitrophenoxy)cyclobutan-1-amine is sourced from PubChem (CID 66357869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).